Properties of vacancy formation in hcp 4He crystals at zero temperature and fixed pressure

被引：16

作者：

Lutsyshyn, Y. ^{[1
]}

Cazorla, C. ^{[2
]}

Astrakharchik, G. E. ^{[1
]}

Boronat, J. ^{[1
]}

机构：

[1] Univ Politecn Cataluna, Dept Fis & Engn Nucl, E-08034 Barcelona, Spain

[2] UCL, Dept Chem, London WC1H 0AJ, England

来源：

PHYSICAL REVIEW B | 2010年 / 82卷 / 18期

关键词：

MONTE-CARLO; THERMAL VACANCIES; HELIUM;

D O I：

10.1103/PhysRevB.82.180506

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Equation of state of He-4 hcp crystals with vacancies is determined at zero temperature using the diffusion Monte Carlo technique, an exact ground-state zero-temperature method. This allows us to extract the formation enthalpy and isobaric formation energy of a single vacancy in otherwise perfect helium solid. Results are obtained for pressures up to 160 bar. The isobaric formation energy is found to reach a minimum near 57 bar where it is equal to 10.5 +/- 1.2 K. At the same pressure, the vacancy formation volume exhibits a maximum and reaches the volume of the unit cell. This pressure coincides with the pressure interval over which a peak in the supersolid fraction of He-4 was observed in a recent experiment.

引用

页数：4

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